Atomistry » Magnesium » PDB 8b3s-8bi6 » 8bi6
Atomistry »
  Magnesium »
    PDB 8b3s-8bi6 »
      8bi6 »

Magnesium in PDB 8bi6: Crystal Structure of Human Choline Kinase A in Complex with UNC0638

Enzymatic activity of Crystal Structure of Human Choline Kinase A in Complex with UNC0638

All present enzymatic activity of Crystal Structure of Human Choline Kinase A in Complex with UNC0638:
2.7.1.32; 2.7.1.82;

Protein crystallography data

The structure of Crystal Structure of Human Choline Kinase A in Complex with UNC0638, PDB code: 8bi6 was solved by L.Diaz-Saez, J.Ward, E.Kennedy, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, K.Huber, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.45 / 2.40
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 132.033, 132.033, 168.988, 90, 90, 90
R / Rfree (%) 17.9 / 22.1

Other elements in 8bi6:

The structure of Crystal Structure of Human Choline Kinase A in Complex with UNC0638 also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Choline Kinase A in Complex with UNC0638 (pdb code 8bi6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human Choline Kinase A in Complex with UNC0638, PDB code: 8bi6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 8bi6

Go back to Magnesium Binding Sites List in 8bi6
Magnesium binding site 1 out of 2 in the Crystal Structure of Human Choline Kinase A in Complex with UNC0638


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Choline Kinase A in Complex with UNC0638 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg500

b:44.1
occ:1.00
O A:GLU349 2.2 35.2 1.0
O A:TYR352 2.3 44.1 1.0
OE1 A:GLU349 2.3 45.6 1.0
OE1 A:GLU309 2.6 39.7 1.0
OE2 A:GLU309 2.7 47.9 1.0
CD A:GLU309 3.0 46.0 1.0
C A:GLU349 3.2 32.4 1.0
C A:TYR352 3.4 39.0 1.0
CB A:GLU349 3.5 44.0 1.0
CA A:GLU349 3.5 40.1 1.0
CD A:GLU349 3.5 40.4 1.0
CE2 A:TYR354 3.8 44.8 1.0
CB A:TYR352 4.0 38.5 1.0
CA A:TYR352 4.0 42.7 1.0
N A:TYR352 4.0 37.8 1.0
CG A:GLU349 4.0 38.9 1.0
CG2 A:THR216 4.1 55.3 1.0
OG1 A:THR216 4.2 42.3 1.0
CB A:GLN308 4.3 49.0 1.0
CD2 A:TYR354 4.4 38.5 1.0
N A:TRP350 4.4 30.6 1.0
CG A:GLU309 4.5 46.4 1.0
CD1 A:LEU219 4.5 44.8 1.0
N A:ASP353 4.5 45.4 1.0
OE2 A:GLU349 4.5 46.7 1.0
CZ A:TYR354 4.7 41.7 1.0
CB A:THR216 4.7 45.1 1.0
O A:HOH604 4.7 44.1 1.0
OH A:TYR354 4.8 43.3 1.0
N A:GLU349 4.9 41.2 1.0
CA A:TRP350 4.9 35.8 1.0
C A:TRP350 5.0 36.9 1.0
CA A:ASP353 5.0 42.5 1.0

Magnesium binding site 2 out of 2 in 8bi6

Go back to Magnesium Binding Sites List in 8bi6
Magnesium binding site 2 out of 2 in the Crystal Structure of Human Choline Kinase A in Complex with UNC0638


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human Choline Kinase A in Complex with UNC0638 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg600

b:47.7
occ:1.00
O B:TYR352 2.3 49.0 1.0
O B:GLU349 2.3 36.1 1.0
OE1 B:GLU349 2.4 42.5 1.0
OE1 B:GLU309 2.5 42.3 1.0
OE2 B:GLU309 2.5 50.0 1.0
CD B:GLU309 2.8 40.4 1.0
C B:GLU349 3.3 38.2 1.0
C B:TYR352 3.4 41.3 1.0
CB B:GLU349 3.5 42.2 1.0
CA B:GLU349 3.5 38.3 1.0
CD B:GLU349 3.5 52.9 1.0
CE2 B:TYR354 3.9 53.7 1.0
CB B:TYR352 3.9 45.2 1.0
CA B:TYR352 3.9 38.8 1.0
N B:TYR352 4.0 48.9 1.0
CG B:GLU349 4.1 43.2 1.0
CG2 B:THR216 4.1 44.4 1.0
OG1 B:THR216 4.2 42.2 1.0
CG B:GLU309 4.4 41.2 1.0
CD2 B:TYR354 4.4 53.1 1.0
N B:TRP350 4.5 36.9 1.0
N B:ASP353 4.5 47.2 1.0
CB B:GLN308 4.6 47.7 1.0
CZ B:TYR354 4.6 52.8 1.0
OE2 B:GLU349 4.6 45.5 1.0
CD1 B:LEU219 4.7 42.9 1.0
CB B:THR216 4.7 42.2 1.0
OH B:TYR354 4.8 46.4 1.0
O B:HOH720 4.8 43.8 1.0
OE1 B:GLN308 4.9 58.6 1.0
N B:GLU309 4.9 43.5 1.0
N B:GLU349 5.0 42.8 1.0
CA B:ASP353 5.0 49.0 1.0

Reference:

L.Diaz-Saez, E.Kennedy, F.Von Delft, S.Knapp, C.H.Arrowsmith, A.M.Edwards, C.Bountra, K.Huber. Crystal Structure of Human Choline Kinase A in Complex with UNC0638 To Be Published.
Page generated: Thu Oct 3 19:24:12 2024

Last articles

Mg in 8CAH
Mg in 8CGI
Mg in 8CEP
Mg in 8CF8
Mg in 8CF1
Mg in 8CGA
Mg in 8CAZ
Mg in 8CA7
Mg in 8CCO
Mg in 8CE5
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy